N-(6-methoxy-2-pyridinyl)-2-methyl-7-[[6-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]-morpholin-4-ylmethyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C46H37F6N11O4 — CID 123944852

IUPACN-(6-methoxy-2-pyridinyl)-2-methyl-7-[[6-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]-morpholin-4-ylmethyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2c(C)nn3c(C(c4cccc(NC(=O)c5c(C)nn6ccc(-c7ccccc7C(F)(F)F)nc56)n4)N4CCOCC4)cc(-c4ccccc4C(F)(F)F)nc23)n1
InChIInChI=1S/C46H37F6N11O4/c1-25-38(41-54-31(18-19-62(41)59-25)27-10-4-6-12-29(27)45(47,48)49)43(64)57-35-15-8-14-32(53-35)40(61-20-22-67-23-21-61)34-24-33(28-11-5-7-13-30(28)46(50,51)52)55-42-39(26(2)60-63(34)42)44(65)58-36-16-9-17-37(56-36)66-3/h4-19,24,40H,20-23H2,1-3H3,(H,53,57,64)(H,56,58,65)
InChIKeyLTTAXDTWSQLEAM-UHFFFAOYSA-N
MW921.86 g/mol
LogP8.49
Rot. Bonds10

About N-(6-methoxy-2-pyridinyl)-2-methyl-7-[[6-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]-morpholin-4-ylmethyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(6-methoxy-2-pyridinyl)-2-methyl-7-[[6-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]-morpholin-4-ylmethyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 123944852) has the molecular formula C46H37F6N11O4 and a molecular weight of 921.86 g/mol. Its IUPAC name is N-(6-methoxy-2-pyridinyl)-2-methyl-7-[[6-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]-morpholin-4-ylmethyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-2-pyridinyl)-2-methyl-7-[[6-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]-morpholin-4-ylmethyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID123944852
Molecular FormulaC46H37F6N11O4
Molecular Weight921.86 g/mol
Exact Mass921.29
IUPAC NameN-(6-methoxy-2-pyridinyl)-2-methyl-7-[[6-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]-morpholin-4-ylmethyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2c(C)nn3c(C(c4cccc(NC(=O)c5c(C)nn6ccc(-c7ccccc7C(F)(F)F)nc56)n4)N4CCOCC4)cc(-c4ccccc4C(F)(F)F)nc23)n1
InChIInChI=1S/C46H37F6N11O4/c1-25-38(41-54-31(18-19-62(41)59-25)27-10-4-6-12-29(27)45(47,48)49)43(64)57-35-15-8-14-32(53-35)40(61-20-22-67-23-21-61)34-24-33(28-11-5-7-13-30(28)46(50,51)52)55-42-39(26(2)60-63(34)42)44(65)58-36-16-9-17-37(56-36)66-3/h4-19,24,40H,20-23H2,1-3H3,(H,53,57,64)(H,56,58,65)
InChIKeyLTTAXDTWSQLEAM-UHFFFAOYSA-N
XLogP8.49
TPSA166.06 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500921.86
LogP ≤ 58.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze N-(6-methoxy-2-pyridinyl)-2-methyl-7-[[6-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]-morpholin-4-ylmethyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[6-[3-(4-fluorophenyl)-1-methyl-5-piperazin-1-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methoxypyridine-4-carboxamide
CID 90248112
US11155557, Example 57
CID 135186609
US11155557, Example 3
CID 135191775
N-[3-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66556630
N-[3-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-3-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328384
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 118537177
N-[6-[1-[[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-7-oxo-2-propan-2-yloxy-5H-pyrrolo[3,4-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 170740953
US20240368194, Example 60
CID 167439832
US20240368194, Example 13
CID 167439846
US20240368194, Example 61
CID 167439852
US20240368194, Example 28
CID 167439963
US20240368194, Example 52
CID 167439991

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-pyridinyl)-2-methyl-7-[[6-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]-morpholin-4-ylmethyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(6-methoxy-2-pyridinyl)-2-methyl-7-[[6-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]-morpholin-4-ylmethyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 123944852) is N-(6-methoxy-2-pyridinyl)-2-methyl-7-[[6-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]-morpholin-4-ylmethyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(6-methoxy-2-pyridinyl)-2-methyl-7-[[6-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]-morpholin-4-ylmethyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(6-methoxy-2-pyridinyl)-2-methyl-7-[[6-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]-morpholin-4-ylmethyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cccc(NC(=O)c2c(C)nn3c(C(c4cccc(NC(=O)c5c(C)nn6ccc(-c7ccccc7C(F)(F)F)nc56)n4)N4CCOCC4)cc(-c4ccccc4C(F)(F)F)nc23)n1.
What is the InChIKey of N-(6-methoxy-2-pyridinyl)-2-methyl-7-[[6-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]-morpholin-4-ylmethyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LTTAXDTWSQLEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H37F6N11O4/c1-25-38(41-54-31(18-19-62(41)59-25)27-10-4-6-12-29(27)45(47,48)49)43(64)57-35-15-8-14-32(53-35)40(61-20-22-67-23-21-61)34-24-33(28-11-5-7-13-30(28)46(50,51)52)55-42-39(26(2)60-63(34)42)44(65)58-36-16-9-17-37(56-36)66-3/h4-19,24,40H,20-23H2,1-3H3,(H,53,57,64)(H,56,58,65).
What are the key properties of N-(6-methoxy-2-pyridinyl)-2-methyl-7-[[6-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]-morpholin-4-ylmethyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(6-methoxy-2-pyridinyl)-2-methyl-7-[[6-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]-morpholin-4-ylmethyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 921.86 g/mol, XLogP of 8.49, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-pyridinyl)-2-methyl-7-[[6-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]-morpholin-4-ylmethyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 123944852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).